2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid

C14H17NO4 — CID 55123678

IUPAC2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)C1Cc2ccccc2O1)C(C)(C)C(=O)O
InChIInChI=1S/C14H17NO4/c1-14(2,13(17)18)15(3)12(16)11-8-9-6-4-5-7-10(9)19-11/h4-7,11H,8H2,1-3H3,(H,17,18)
InChIKeyRMHCOZPPQQYQNM-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.31
Rot. Bonds3

About 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid

2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 55123678) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid
PubChem CID55123678
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(C(=O)C1Cc2ccccc2O1)C(C)(C)C(=O)O
InChIInChI=1S/C14H17NO4/c1-14(2,13(17)18)15(3)12(16)11-8-9-6-4-5-7-10(9)19-11/h4-7,11H,8H2,1-3H3,(H,17,18)
InChIKeyRMHCOZPPQQYQNM-UHFFFAOYSA-N
XLogP1.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[4-(2-methoxyphenyl)phenyl]-2-(oxolane-2-carbonylamino)propanoic acid
CID 44284102
N-[7-(hydroxyamino)-7-oxoheptyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 44365258
2,3-Dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
1-(2,3-Dihydrobenzofuran-2-carboxamido)cyclohexane-1-carboxylic acid
CID 24693535
2-Benzofurancarboxamide, 2,3-dihydro-N-(2-(diethylamino)ethyl)-
CID 206137
(3-Methyl-2,3-dihydrobenzofuran-2-yl)(piperidin-1-yl)methanone
CID 44421052
1-[(5-Fluoro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 75383475
(2S)-N-cyclopropyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9080199
methyl 1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidine-4-carboxylate
CID 40013407
N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42890731
tert-butyl N-[[1-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methyl]carbamate
CID 52819797
[1-(2,3-Dihydro-1-benzofuran-2-carbonyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 53549449

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid (CID 55123678) is 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid is CN(C(=O)C1Cc2ccccc2O1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is RMHCOZPPQQYQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2,13(17)18)15(3)12(16)11-8-9-6-4-5-7-10(9)19-11/h4-7,11H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid?
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55123678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).